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    47 repositories

    • electrondensity2

      Public
      Python
      •
      Other
      •2•9•0•0•Updated Oct 2, 2024Oct 2, 2024

    • assembly_go

      Public
      Go
      •
      GNU Affero General Public License v3.0
      •1•0•0•0•Updated Apr 29, 2024Apr 29, 2024

    • molecular_complexity

      Public
      Jupyter Notebook
      •
      Apache License 2.0
      •0•3•0•0•Updated Apr 18, 2024Apr 18, 2024

    • RecursiveMA

      Public
      Python
      •
      Apache License 2.0
      •0•1•0•0•Updated Apr 18, 2024Apr 18, 2024

    • BZComputation

      Public
      Repository for the BZ2 platforms
      Mathematica
      •
      MIT License
      •1•4•0•0•Updated Feb 28, 2024Feb 28, 2024

    • InorganicClusterDiscovery

      Public
      Software accompanying the publication "A Modular Programmable Inorganic Cluster Discovery Robot for the Discovery adn Synthesis of Polyoxometallates"
      Python
      •1•4•0•0•Updated Jan 8, 2024Jan 8, 2024

    • mzmlripper

      Public
      MzML to JSON converter
      Python
      •
      MIT License
      •2•2•0•0•Updated Dec 1, 2023Dec 1, 2023

    • assemblyphysics

      Public
      Mathematica
      •9•46•1•0•Updated Sep 13, 2023Sep 13, 2023

    • summitserver

      Public
      Python
      •
      Other
      •0•1•0•0•Updated Aug 17, 2023Aug 17, 2023

    • chemputeroptimizer

      Public
      Python
      •
      Other
      •1•2•0•0•Updated Aug 17, 2023Aug 17, 2023

    • analyticallabware

      Public
      Python
      •
      Other
      •1•3•0•0•Updated Aug 17, 2023Aug 17, 2023

    • RD-DDA

      Public
      Mathematica
      •
      MIT License
      •2•4•0•0•Updated Aug 10, 2023Aug 10, 2023

    • Arduino-CommandTools

      Public
      A collection of arduino libraries to easily communicate, control, and get stuff done with Arduino boards
      C++
      •11•6•0•0•Updated Jul 28, 2023Jul 28, 2023

    • commanduino

      Public
      Tools to control Arduino boards seamlessly from Python
      Python
      •
      GNU General Public License v3.0
      •16•15•0•0•Updated Jul 28, 2023Jul 28, 2023

    • HybridComputation

      Public
      Mathematica
      •1•0•0•0•Updated Jun 12, 2023Jun 12, 2023

    • chem_oracle

      Public
      Python
      •0•2•0•0•Updated Apr 3, 2023Apr 3, 2023

    • DigitalCoordinationChemistry

      Public
      Code and associated data relating to Kowalski, MacGregor, Long, Bell, and Cronin, "Automated Library Generation and Serendipity Quantification enables Diverse Discovery in Coordination Chemistry", JACS, 2022
      chemistrysynthesisbayesian-optimizationnovelty-searchguassian-processesnmf-matrix-factorizationlibrary-generation
      Jupyter Notebook
      •0•1•0•0•Updated Dec 1, 2022Dec 1, 2022

    • NanoDiscovery

      Public
      Mathematica
      •
      Other
      •2•6•0•0•Updated Oct 11, 2022Oct 11, 2022

    • ChemputerSoftware

      Public
      Software for running the Chemputer in association with the supporting publication in Science
      Python
      •
      BSD 3-Clause "New" or "Revised" License
      •21•93•4•0•Updated Jul 28, 2022Jul 28, 2022

    • easy-scpi

      Public
      A library to control SCPI instruments
      Python
      •
      GNU General Public License v3.0
      •21•0•0•0•Updated Nov 12, 2021Nov 12, 2021

    • oligoss

      Public
      Oligomer-Soup-Sequencing (OLIGOSS). Tool for de novo sequencing of oligomer mixtures analysed via LC-MS/MS
      Python
      •
      GNU Affero General Public License v3.0
      •1•3•0•0•Updated Oct 27, 2021Oct 27, 2021

    • Rx1st

      Public
      Reactivity first chemical space exploration
      Jupyter Notebook
      •
      MIT License
      •0•3•1•0•Updated Oct 22, 2021Oct 22, 2021

    • Paper-AssemblyTreeOfLife

      Public
      Code associated with the paper "Exploring and Mapping Chemical Space with Molecular Assembly Trees"
      C
      •8•17•2•0•Updated Sep 29, 2021Sep 29, 2021

    • Reactify

      Public
      Reactivity detection using NMR spectroscopy
      machine-learningchemistrynmr
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•2•0•0•Updated Jun 18, 2021Jun 18, 2021

    • pylabware

      Public
      A Python 3 class for communication with serial devices such as hotplate stirrers, vacuum pumps etc.
      Python
      •
      MIT License
      •5•10•0•0•Updated Jun 16, 2021Jun 16, 2021

    • JTNN-VAE

      Public
      Junction-tree variational auto-encoder for Python 3 (https://arxiv.org/abs/1802.04364)
      Python
      •
      MIT License
      •2•9•1•0•Updated Apr 7, 2021Apr 7, 2021

    • polyhedral-isomerism

      Public
      Code to generate each isomers for ambidentate node and linker polyhedra
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 7, 2021Apr 7, 2021

    • ChemputerConvergence

      Public
      Convergence of multiple synthetic paradigms in a universally programable chemical synthesis machine
      Python
      •
      GNU Affero General Public License v3.0
      •6•12•0•0•Updated Feb 9, 2021Feb 9, 2021

    • dropfactory

      Public
      Dropfactory: A robot for parallelized droplet's experiments
      roboticsdroplets
      Python
      •
      GNU Lesser General Public License v3.0
      •5•9•0•0•Updated Aug 5, 2020Aug 5, 2020

    • pycont

      Public
      Library to control tricontinent pumps
      Python
      •
      GNU General Public License v3.0
      •4•7•2•0•Updated Jun 30, 2020Jun 30, 2020